6-chloro-5-methylpyridin-2-amine;phenyl N-(6-chloro-5-methyl-2-pyridinyl)carbamate

C19H18Cl2N4O2 — CID 167580490

IUPAC6-chloro-5-methylpyridin-2-amine;phenyl N-(6-chloro-5-methyl-2-pyridinyl)carbamate
SMILESCc1ccc(N)nc1Cl.Cc1ccc(NC(=O)Oc2ccccc2)nc1Cl
InChIInChI=1S/C13H11ClN2O2.C6H7ClN2/c1-9-7-8-11(15-12(9)14)16-13(17)18-10-5-3-2-4-6-10;1-4-2-3-5(8)9-6(4)7/h2-8H,1H3,(H,15,16,17);2-3H,1H3,(H2,8,9)
InChIKeyHCQRUMQCOCQBRC-UHFFFAOYSA-N
MW405.29 g/mol
LogP5.28
Rot. Bonds2

About 6-chloro-5-methylpyridin-2-amine;phenyl N-(6-chloro-5-methyl-2-pyridinyl)carbamate

6-chloro-5-methylpyridin-2-amine;phenyl N-(6-chloro-5-methyl-2-pyridinyl)carbamate (PubChem CID 167580490) has the molecular formula C19H18Cl2N4O2 and a molecular weight of 405.29 g/mol. Its IUPAC name is 6-chloro-5-methylpyridin-2-amine;phenyl N-(6-chloro-5-methyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Name6-chloro-5-methylpyridin-2-amine;phenyl N-(6-chloro-5-methyl-2-pyridinyl)carbamate
PubChem CID167580490
Molecular FormulaC19H18Cl2N4O2
Molecular Weight405.29 g/mol
Exact Mass404.08
IUPAC Name6-chloro-5-methylpyridin-2-amine;phenyl N-(6-chloro-5-methyl-2-pyridinyl)carbamate
SMILESCc1ccc(N)nc1Cl.Cc1ccc(NC(=O)Oc2ccccc2)nc1Cl
InChIInChI=1S/C13H11ClN2O2.C6H7ClN2/c1-9-7-8-11(15-12(9)14)16-13(17)18-10-5-3-2-4-6-10;1-4-2-3-5(8)9-6(4)7/h2-8H,1H3,(H,15,16,17);2-3H,1H3,(H2,8,9)
InChIKeyHCQRUMQCOCQBRC-UHFFFAOYSA-N
XLogP5.28
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.29
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate
CID 140879711
2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid
CID 90422775
phenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate
CID 174351013
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264
N-(6-chloro-5-methyl-2-pyridinyl)cyclopropanecarboxamide
CID 87276605
4-chloro-2-fluoro-5-methylaniline;phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate
CID 70115366
2-amino-6-chloro-5-methyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 154191475
phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate
CID 18615647
phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate
CID 67824669
phenyl N-phenoxycarbonylcarbamate
CID 11043392
4-methyl-5-(phenoxycarbonylamino)phthalic acid
CID 67543732
phenyl N-(2,6-difluoro-3-methylphenyl)carbamate
CID 82820468

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methylpyridin-2-amine;phenyl N-(6-chloro-5-methyl-2-pyridinyl)carbamate?
The IUPAC name of 6-chloro-5-methylpyridin-2-amine;phenyl N-(6-chloro-5-methyl-2-pyridinyl)carbamate (CID 167580490) is 6-chloro-5-methylpyridin-2-amine;phenyl N-(6-chloro-5-methyl-2-pyridinyl)carbamate.
What is the SMILES notation for 6-chloro-5-methylpyridin-2-amine;phenyl N-(6-chloro-5-methyl-2-pyridinyl)carbamate?
The canonical SMILES for 6-chloro-5-methylpyridin-2-amine;phenyl N-(6-chloro-5-methyl-2-pyridinyl)carbamate is Cc1ccc(N)nc1Cl.Cc1ccc(NC(=O)Oc2ccccc2)nc1Cl.
What is the InChIKey of 6-chloro-5-methylpyridin-2-amine;phenyl N-(6-chloro-5-methyl-2-pyridinyl)carbamate?
The InChIKey is HCQRUMQCOCQBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2.C6H7ClN2/c1-9-7-8-11(15-12(9)14)16-13(17)18-10-5-3-2-4-6-10;1-4-2-3-5(8)9-6(4)7/h2-8H,1H3,(H,15,16,17);2-3H,1H3,(H2,8,9).
What are the key properties of 6-chloro-5-methylpyridin-2-amine;phenyl N-(6-chloro-5-methyl-2-pyridinyl)carbamate?
6-chloro-5-methylpyridin-2-amine;phenyl N-(6-chloro-5-methyl-2-pyridinyl)carbamate has a molecular weight of 405.29 g/mol, XLogP of 5.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methylpyridin-2-amine;phenyl N-(6-chloro-5-methyl-2-pyridinyl)carbamate is sourced from PubChem (CID 167580490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).