(4-chloro-3-pyridinyl)carbamic acid

C6H5ClN2O2 — CID 54010428

IUPAC(4-chloro-3-pyridinyl)carbamic acid
SMILESO=C(O)Nc1cnccc1Cl
InChIInChI=1S/C6H5ClN2O2/c7-4-1-2-8-3-5(4)9-6(10)11/h1-3,9H,(H,10,11)
InChIKeyKRYPTAWIRFOEDX-UHFFFAOYSA-N
MW172.57 g/mol
LogP1.82
Rot. Bonds1

About (4-chloro-3-pyridinyl)carbamic acid

(4-chloro-3-pyridinyl)carbamic acid (PubChem CID 54010428) has the molecular formula C6H5ClN2O2 and a molecular weight of 172.57 g/mol. Its IUPAC name is (4-chloro-3-pyridinyl)carbamic acid.

Molecular Properties

Compound Name(4-chloro-3-pyridinyl)carbamic acid
PubChem CID54010428
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57 g/mol
Exact Mass172.00
IUPAC Name(4-chloro-3-pyridinyl)carbamic acid
SMILESO=C(O)Nc1cnccc1Cl
InChIInChI=1S/C6H5ClN2O2/c7-4-1-2-8-3-5(4)9-6(10)11/h1-3,9H,(H,10,11)
InChIKeyKRYPTAWIRFOEDX-UHFFFAOYSA-N
XLogP1.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-3-pyridinyl)prop-2-enamide
CID 83167019
N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide
CID 78965831
N-(4-chloro-3-pyridinyl)-2,6-dimethylbenzamide
CID 103769247
N-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide
CID 103670335
N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide
CID 113253382
4-[(4-chloro-3-pyridinyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 83165894
N-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide
CID 113238219
N-(4-chloro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 113236705
N-(4-chloro-3-pyridinyl)-2-iodobenzamide
CID 78965019
N-(4-chloro-3-pyridinyl)-5-hydroxypentanamide
CID 83166682
2-[(4-chloro-3-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 83165732
N-(4-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80712464

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-pyridinyl)carbamic acid?
The IUPAC name of (4-chloro-3-pyridinyl)carbamic acid (CID 54010428) is (4-chloro-3-pyridinyl)carbamic acid.
What is the SMILES notation for (4-chloro-3-pyridinyl)carbamic acid?
The canonical SMILES for (4-chloro-3-pyridinyl)carbamic acid is O=C(O)Nc1cnccc1Cl.
What is the InChIKey of (4-chloro-3-pyridinyl)carbamic acid?
The InChIKey is KRYPTAWIRFOEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2/c7-4-1-2-8-3-5(4)9-6(10)11/h1-3,9H,(H,10,11).
What are the key properties of (4-chloro-3-pyridinyl)carbamic acid?
(4-chloro-3-pyridinyl)carbamic acid has a molecular weight of 172.57 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-pyridinyl)carbamic acid is sourced from PubChem (CID 54010428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).