[2-(2-chloro-6-cyano-4-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]carbamic acid

C14H6ClF2N5O2 — CID 118481203

IUPAC[2-(2-chloro-6-cyano-4-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]carbamic acid
SMILESN#Cc1cc(F)cc(Cl)c1-n1cc2c(NC(=O)O)ncc(F)c2n1
InChIInChI=1S/C14H6ClF2N5O2/c15-9-2-7(16)1-6(3-18)12(9)22-5-8-11(21-22)10(17)4-19-13(8)20-14(23)24/h1-2,4-5H,(H,19,20)(H,23,24)
InChIKeyBFPSBOAOQHWBBM-UHFFFAOYSA-N
MW349.68 g/mol
LogP3.31
Rot. Bonds2

About [2-(2-chloro-6-cyano-4-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]carbamic acid

[2-(2-chloro-6-cyano-4-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]carbamic acid (PubChem CID 118481203) has the molecular formula C14H6ClF2N5O2 and a molecular weight of 349.68 g/mol. Its IUPAC name is [2-(2-chloro-6-cyano-4-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]carbamic acid.

Molecular Properties

Compound Name[2-(2-chloro-6-cyano-4-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]carbamic acid
PubChem CID118481203
Molecular FormulaC14H6ClF2N5O2
Molecular Weight349.68 g/mol
Exact Mass349.02
IUPAC Name[2-(2-chloro-6-cyano-4-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]carbamic acid
SMILESN#Cc1cc(F)cc(Cl)c1-n1cc2c(NC(=O)O)ncc(F)c2n1
InChIInChI=1S/C14H6ClF2N5O2/c15-9-2-7(16)1-6(3-18)12(9)22-5-8-11(21-22)10(17)4-19-13(8)20-14(23)24/h1-2,4-5H,(H,19,20)(H,23,24)
InChIKeyBFPSBOAOQHWBBM-UHFFFAOYSA-N
XLogP3.31
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.68
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2-chloro-6-cyano-4-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]carbamic acid with MolForge

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Related Compounds

N'-[(1Z)-3-amino-1-[[2-(2,6-dichloro-4-cyanophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]amino]buta-1,3-dienyl]methanimidamide
CID 173324513
N'-[(Z)-1-[[2-(2-chloro-6-cyanophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]amino]-4-hydroxy-3-methylidenepent-1-enyl]methanimidamide
CID 173324713
methyl 3-amino-4-cyano-1-(2,6-dichloro-4-fluorophenyl)pyrrole-2-carboxylate
CID 168545878
N-[1-[(2-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]-2,5-difluorobenzamide
CID 139986454
3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 81484638
3-chloro-5-fluoro-2-prop-2-enoxybenzonitrile
CID 100584500
1-(2-bromo-6-chloro-4-fluorophenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 107617181
3-chloro-2-[8-chloro-5-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methyl-4-oxo-1,6-naphthyridin-1-yl]-5-fluorobenzonitrile
CID 134453175
N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide
CID 65098727
N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 83087291
2-cyano-4,6-difluorobenzoyl chloride
CID 131072058
(6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid
CID 170358649

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-6-cyano-4-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]carbamic acid?
The IUPAC name of [2-(2-chloro-6-cyano-4-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]carbamic acid (CID 118481203) is [2-(2-chloro-6-cyano-4-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]carbamic acid.
What is the SMILES notation for [2-(2-chloro-6-cyano-4-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]carbamic acid?
The canonical SMILES for [2-(2-chloro-6-cyano-4-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]carbamic acid is N#Cc1cc(F)cc(Cl)c1-n1cc2c(NC(=O)O)ncc(F)c2n1.
What is the InChIKey of [2-(2-chloro-6-cyano-4-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]carbamic acid?
The InChIKey is BFPSBOAOQHWBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF2N5O2/c15-9-2-7(16)1-6(3-18)12(9)22-5-8-11(21-22)10(17)4-19-13(8)20-14(23)24/h1-2,4-5H,(H,19,20)(H,23,24).
What are the key properties of [2-(2-chloro-6-cyano-4-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]carbamic acid?
[2-(2-chloro-6-cyano-4-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]carbamic acid has a molecular weight of 349.68 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-6-cyano-4-fluorophenyl)-7-fluoropyrazolo[4,3-c]pyridin-4-yl]carbamic acid is sourced from PubChem (CID 118481203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).