4-Chloro-2,6-dimethyl-3-nitropyridine - CAS 15513-48-1

Catalog:	BB011090
Product Name:	4-Chloro-2,6-dimethyl-3-nitropyridine
CAS:	15513-48-1
Synonyms:	4-chloro-2,6-dimethyl-3-nitropyridine; 4-chloro-2,6-dimethyl-3-nitropyridine

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-2,6-dimethyl-3-nitropyridine
Description:	4-Chloro-2,6-dimethyl-3-nitropyridine (CAS# 15513-48-1) is a useful research chemical.
Molecular Weight:	186.60
Molecular Formula:	C7H7ClN2O2
Canonical SMILES:	CC1=NC(=C(C(=C1)Cl)[N+](=O)[O-])C
InChI:	InChI=1S/C7H7ClN2O2/c1-4-3-6(8)7(10(11)12)5(2)9-4/h3H,1-2H3
InChI Key:	PSBGFLWVQDGETK-UHFFFAOYSA-N
Boiling Point:	270.3 °C at 760 mmHg
Density:	1.342 g/cm³
Appearance:	Solid
MDL:	MFCD08543468
LogP:	2.78320

Publication Number	Title	Priority Date
US-2021079000-A1	Process for preparation of grapiprant	20190812
WO-2020014445-A1	Ep4 inhibitors and synthesis thereof	20180711
CN-113301896-A	EP4 inhibitors and synthesis thereof	20180711
EP-3820469-A1	Ep4 inhibitors and synthesis thereof	20180711
US-2021300921-A1	Ep4 inhibitors and synthesis thereof	20180711

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0196052
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.0196052
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1