(4-chloro-3-fluoro-2-pyridinyl)methylcarbamic acid

C7H6ClFN2O2 — CID 139560678

IUPAC(4-chloro-3-fluoro-2-pyridinyl)methylcarbamic acid
SMILESO=C(O)NCc1nccc(Cl)c1F
InChIInChI=1S/C7H6ClFN2O2/c8-4-1-2-10-5(6(4)9)3-11-7(12)13/h1-2,11H,3H2,(H,12,13)
InChIKeyBQYNLJSYVHMRPC-UHFFFAOYSA-N
MW204.59 g/mol
LogP1.64
Rot. Bonds2

About (4-chloro-3-fluoro-2-pyridinyl)methylcarbamic acid

(4-chloro-3-fluoro-2-pyridinyl)methylcarbamic acid (PubChem CID 139560678) has the molecular formula C7H6ClFN2O2 and a molecular weight of 204.59 g/mol. Its IUPAC name is (4-chloro-3-fluoro-2-pyridinyl)methylcarbamic acid.

Molecular Properties

Compound Name(4-chloro-3-fluoro-2-pyridinyl)methylcarbamic acid
PubChem CID139560678
Molecular FormulaC7H6ClFN2O2
Molecular Weight204.59 g/mol
Exact Mass204.01
IUPAC Name(4-chloro-3-fluoro-2-pyridinyl)methylcarbamic acid
SMILESO=C(O)NCc1nccc(Cl)c1F
InChIInChI=1S/C7H6ClFN2O2/c8-4-1-2-10-5(6(4)9)3-11-7(12)13/h1-2,11H,3H2,(H,12,13)
InChIKeyBQYNLJSYVHMRPC-UHFFFAOYSA-N
XLogP1.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.59
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4-chloro-3-fluoro-2-pyridinyl)methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-3-fluoro-2-pyridinyl)methanol
CID 19791242
2-(bromomethyl)-4-chloro-3-fluoropyridine;hydrobromide
CID 138040566
(2-chloropyrimidin-4-yl)methylcarbamic acid
CID 118959185
[3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid
CID 155209331
[3-(aminomethyl)-2-pyridinyl]methylcarbamic acid
CID 68918958
(2,6-dichlorophenyl)methylcarbamic acid
CID 77230594
2-(3,4-dichloro-2-pyridinyl)acetic acid
CID 130838385
(3-chloro-4-pyridinyl)methylcarbamic acid
CID 176952397
2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
CID 22027356
4-chloro-3-fluoro-2-methylpyridine
CID 18727750
N-[(4-chloro-3-fluoro-2-pyridinyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 139301812
(6-amino-3-fluoro-2-pyridinyl)methylcarbamic acid
CID 155209306

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluoro-2-pyridinyl)methylcarbamic acid?
The IUPAC name of (4-chloro-3-fluoro-2-pyridinyl)methylcarbamic acid (CID 139560678) is (4-chloro-3-fluoro-2-pyridinyl)methylcarbamic acid.
What is the SMILES notation for (4-chloro-3-fluoro-2-pyridinyl)methylcarbamic acid?
The canonical SMILES for (4-chloro-3-fluoro-2-pyridinyl)methylcarbamic acid is O=C(O)NCc1nccc(Cl)c1F.
What is the InChIKey of (4-chloro-3-fluoro-2-pyridinyl)methylcarbamic acid?
The InChIKey is BQYNLJSYVHMRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2O2/c8-4-1-2-10-5(6(4)9)3-11-7(12)13/h1-2,11H,3H2,(H,12,13).
What are the key properties of (4-chloro-3-fluoro-2-pyridinyl)methylcarbamic acid?
(4-chloro-3-fluoro-2-pyridinyl)methylcarbamic acid has a molecular weight of 204.59 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluoro-2-pyridinyl)methylcarbamic acid is sourced from PubChem (CID 139560678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).