(6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid

C7H3ClFN3O2 — CID 170358649

IUPAC(6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid
SMILESN#Cc1c(NC(=O)O)cnc(Cl)c1F
InChIInChI=1S/C7H3ClFN3O2/c8-6-5(9)3(1-10)4(2-11-6)12-7(13)14/h2,12H,(H,13,14)
InChIKeyAYBDRLQHZVVKTD-UHFFFAOYSA-N
MW215.57 g/mol
LogP1.84
Rot. Bonds1

About (6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid

(6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid (PubChem CID 170358649) has the molecular formula C7H3ClFN3O2 and a molecular weight of 215.57 g/mol. Its IUPAC name is (6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid.

Molecular Properties

Compound Name(6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid
PubChem CID170358649
Molecular FormulaC7H3ClFN3O2
Molecular Weight215.57 g/mol
Exact Mass214.99
IUPAC Name(6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid
SMILESN#Cc1c(NC(=O)O)cnc(Cl)c1F
InChIInChI=1S/C7H3ClFN3O2/c8-6-5(9)3(1-10)4(2-11-6)12-7(13)14/h2,12H,(H,13,14)
InChIKeyAYBDRLQHZVVKTD-UHFFFAOYSA-N
XLogP1.84
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.57
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[6-chloro-5-fluoro-4-(methylcarbamoyl)-3-pyridinyl]carbamic acid
CID 174162579
(2,4-dichloropyrimidin-5-yl)carbamic acid
CID 118393438
[5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid
CID 175875300
2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 119015603
2,5-dichloro-3-fluoropyridine-4-carboxylic acid
CID 11009178
2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide
CID 43580726
(3-chloro-2-fluoro-4-pyridinyl)carbamic acid
CID 170308277
(6-fluoro-4-iodo-3-pyridinyl)carbamic acid
CID 66674148
2-chloro-N-(4-cyanophenyl)-5-fluoropyridine-3-carboxamide
CID 103893052
(4,6-dichloro-5-fluoropyrimidin-2-yl)carbamic acid
CID 172754486
(3-cyano-7-fluorothieno[3,2-c]pyridin-2-yl)carbamic acid
CID 170165248
6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43580818

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid?
The IUPAC name of (6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid (CID 170358649) is (6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid.
What is the SMILES notation for (6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid?
The canonical SMILES for (6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid is N#Cc1c(NC(=O)O)cnc(Cl)c1F.
What is the InChIKey of (6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid?
The InChIKey is AYBDRLQHZVVKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFN3O2/c8-6-5(9)3(1-10)4(2-11-6)12-7(13)14/h2,12H,(H,13,14).
What are the key properties of (6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid?
(6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid has a molecular weight of 215.57 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid is sourced from PubChem (CID 170358649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).