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

C6H4ClFN2O2 — CID 170308277

IUPAC(3-chloro-2-fluoro-4-pyridinyl)carbamic acid
SMILESO=C(O)Nc1ccnc(F)c1Cl
InChIInChI=1S/C6H4ClFN2O2/c7-4-3(10-6(11)12)1-2-9-5(4)8/h1-2H,(H,9,10)(H,11,12)
InChIKeyHLYIEJYUURJYHS-UHFFFAOYSA-N
MW190.56 g/mol
LogP1.96
Rot. Bonds1

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

(3-chloro-2-fluoro-4-pyridinyl)carbamic acid (PubChem CID 170308277) has the molecular formula C6H4ClFN2O2 and a molecular weight of 190.56 g/mol. Its IUPAC name is (3-chloro-2-fluoro-4-pyridinyl)carbamic acid.

Molecular Properties

Compound Name(3-chloro-2-fluoro-4-pyridinyl)carbamic acid
PubChem CID170308277
Molecular FormulaC6H4ClFN2O2
Molecular Weight190.56 g/mol
Exact Mass189.99
IUPAC Name(3-chloro-2-fluoro-4-pyridinyl)carbamic acid
SMILESO=C(O)Nc1ccnc(F)c1Cl
InChIInChI=1S/C6H4ClFN2O2/c7-4-3(10-6(11)12)1-2-9-5(4)8/h1-2H,(H,9,10)(H,11,12)
InChIKeyHLYIEJYUURJYHS-UHFFFAOYSA-N
XLogP1.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.56
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)pyridine-4-carboxylic acid
CID 133089976
(4-chloropyrimidin-2-yl)carbamic acid
CID 135282743
(4-chloro-3-pyridinyl)carbamic acid
CID 54010428
[5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid
CID 175875300
(2-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide
CID 107470498
(6-fluoro-4-iodo-3-pyridinyl)carbamic acid
CID 66674148
[3-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]carbamic acid
CID 87589525
[5-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]carbamic acid
CID 87576088
(3-chloro-2-iodophenyl)carbamic acid
CID 122610663
(2,4-dichloropyrimidin-5-yl)carbamic acid
CID 118393438
(6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid
CID 170358649

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluoro-4-pyridinyl)carbamic acid?
The IUPAC name of (3-chloro-2-fluoro-4-pyridinyl)carbamic acid (CID 170308277) is (3-chloro-2-fluoro-4-pyridinyl)carbamic acid.
What is the SMILES notation for (3-chloro-2-fluoro-4-pyridinyl)carbamic acid?
The canonical SMILES for (3-chloro-2-fluoro-4-pyridinyl)carbamic acid is O=C(O)Nc1ccnc(F)c1Cl.
What is the InChIKey of (3-chloro-2-fluoro-4-pyridinyl)carbamic acid?
The InChIKey is HLYIEJYUURJYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2O2/c7-4-3(10-6(11)12)1-2-9-5(4)8/h1-2H,(H,9,10)(H,11,12).
What are the key properties of (3-chloro-2-fluoro-4-pyridinyl)carbamic acid?
(3-chloro-2-fluoro-4-pyridinyl)carbamic acid has a molecular weight of 190.56 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluoro-4-pyridinyl)carbamic acid is sourced from PubChem (CID 170308277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).