6-chloro-5-[1-[(1,3-dihydroxycyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile

C14H13ClN4O2 — CID 137373955

IUPAC6-chloro-5-[1-[(1,3-dihydroxycyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cnn(CC3(O)CC(O)C3)c2)c(Cl)n1
InChIInChI=1S/C14H13ClN4O2/c15-13-12(2-1-10(5-16)18-13)9-6-17-19(7-9)8-14(21)3-11(20)4-14/h1-2,6-7,11,20-21H,3-4,8H2
InChIKeyILGFQNABXAGWKH-UHFFFAOYSA-N
MW304.74 g/mol
LogP1.36
Rot. Bonds3

About 6-chloro-5-[1-[(1,3-dihydroxycyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile

6-chloro-5-[1-[(1,3-dihydroxycyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile (PubChem CID 137373955) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 6-chloro-5-[1-[(1,3-dihydroxycyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-chloro-5-[1-[(1,3-dihydroxycyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
PubChem CID137373955
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name6-chloro-5-[1-[(1,3-dihydroxycyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cnn(CC3(O)CC(O)C3)c2)c(Cl)n1
InChIInChI=1S/C14H13ClN4O2/c15-13-12(2-1-10(5-16)18-13)9-6-17-19(7-9)8-14(21)3-11(20)4-14/h1-2,6-7,11,20-21H,3-4,8H2
InChIKeyILGFQNABXAGWKH-UHFFFAOYSA-N
XLogP1.36
TPSA94.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285789
6-chloro-5-[1-[(2,2-difluoro-1-methylcyclopropyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374233
6-chloro-5-[1-(2-oxopropyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137373959
6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137391908
6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 147743300
2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine
CID 129301800
6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374153
6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374374
6-imidazo[1,2-a]pyridin-7-yl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374015
5-[1-[(2,2-difluoro-1-methylcyclopropyl)methyl]pyrazol-4-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137373899
6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137371251
6-quinolin-7-yl-5-[1-(spiro[2.2]pentan-2-ylmethyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 151401083

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[1-[(1,3-dihydroxycyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-chloro-5-[1-[(1,3-dihydroxycyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile (CID 137373955) is 6-chloro-5-[1-[(1,3-dihydroxycyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-chloro-5-[1-[(1,3-dihydroxycyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-chloro-5-[1-[(1,3-dihydroxycyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile is N#Cc1ccc(-c2cnn(CC3(O)CC(O)C3)c2)c(Cl)n1.
What is the InChIKey of 6-chloro-5-[1-[(1,3-dihydroxycyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The InChIKey is ILGFQNABXAGWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c15-13-12(2-1-10(5-16)18-13)9-6-17-19(7-9)8-14(21)3-11(20)4-14/h1-2,6-7,11,20-21H,3-4,8H2.
What are the key properties of 6-chloro-5-[1-[(1,3-dihydroxycyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
6-chloro-5-[1-[(1,3-dihydroxycyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 304.74 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[1-[(1,3-dihydroxycyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137373955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).