(4-chloropyridine-2-carbonyl)carbamic acid

C7H5ClN2O3 — CID 174620541

IUPAC(4-chloropyridine-2-carbonyl)carbamic acid
SMILESO=C(O)NC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C7H5ClN2O3/c8-4-1-2-9-5(3-4)6(11)10-7(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeySTQIRVMLDQAPKD-UHFFFAOYSA-N
MW200.58 g/mol
LogP1.14
Rot. Bonds1

About (4-chloropyridine-2-carbonyl)carbamic acid

(4-chloropyridine-2-carbonyl)carbamic acid (PubChem CID 174620541) has the molecular formula C7H5ClN2O3 and a molecular weight of 200.58 g/mol. Its IUPAC name is (4-chloropyridine-2-carbonyl)carbamic acid.

Molecular Properties

Compound Name(4-chloropyridine-2-carbonyl)carbamic acid
PubChem CID174620541
Molecular FormulaC7H5ClN2O3
Molecular Weight200.58 g/mol
Exact Mass200.00
IUPAC Name(4-chloropyridine-2-carbonyl)carbamic acid
SMILESO=C(O)NC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C7H5ClN2O3/c8-4-1-2-9-5(3-4)6(11)10-7(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeySTQIRVMLDQAPKD-UHFFFAOYSA-N
XLogP1.14
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.58
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
4-chloropyridine-2-carboxylic acid;dihydrochloride
CID 174449778
[(2S)-1-(4-chloro-2-pyridinyl)-1-oxopropan-2-yl]carbamic acid
CID 68589066
4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide
CID 115279672
4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379
4-chloro-N-(2-hydroxyphenyl)pyridine-2-carboxamide
CID 35852171
4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
CID 103461085
4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide
CID 113290191
3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740156
4-chloro-N-(4-iodo-2-methylphenyl)pyridine-2-carboxamide
CID 60656369
2-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 62535920

Frequently Asked Questions

What is the IUPAC name of (4-chloropyridine-2-carbonyl)carbamic acid?
The IUPAC name of (4-chloropyridine-2-carbonyl)carbamic acid (CID 174620541) is (4-chloropyridine-2-carbonyl)carbamic acid.
What is the SMILES notation for (4-chloropyridine-2-carbonyl)carbamic acid?
The canonical SMILES for (4-chloropyridine-2-carbonyl)carbamic acid is O=C(O)NC(=O)c1cc(Cl)ccn1.
What is the InChIKey of (4-chloropyridine-2-carbonyl)carbamic acid?
The InChIKey is STQIRVMLDQAPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O3/c8-4-1-2-9-5(3-4)6(11)10-7(12)13/h1-3H,(H,10,11)(H,12,13).
What are the key properties of (4-chloropyridine-2-carbonyl)carbamic acid?
(4-chloropyridine-2-carbonyl)carbamic acid has a molecular weight of 200.58 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropyridine-2-carbonyl)carbamic acid is sourced from PubChem (CID 174620541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).