4-chloro-3-fluoro-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]pyridine-2-carboxamide

C13H16ClFN2O2 — CID 99778357

IUPAC4-chloro-3-fluoro-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]pyridine-2-carboxamide
SMILESO=C(NC[C@H]1CCCC[C@@H]1O)c1nccc(Cl)c1F
InChIInChI=1S/C13H16ClFN2O2/c14-9-5-6-16-12(11(9)15)13(19)17-7-8-3-1-2-4-10(8)18/h5-6,8,10,18H,1-4,7H2,(H,17,19)/t8-,10+/m1/s1
InChIKeyXKZDFRLWVDNWQM-SCZZXKLOSA-N
MW286.73 g/mol
LogP2.15
Rot. Bonds3

About 4-chloro-3-fluoro-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]pyridine-2-carboxamide

4-chloro-3-fluoro-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]pyridine-2-carboxamide (PubChem CID 99778357) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]pyridine-2-carboxamide
PubChem CID99778357
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC Name4-chloro-3-fluoro-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]pyridine-2-carboxamide
SMILESO=C(NC[C@H]1CCCC[C@@H]1O)c1nccc(Cl)c1F
InChIInChI=1S/C13H16ClFN2O2/c14-9-5-6-16-12(11(9)15)13(19)17-7-8-3-1-2-4-10(8)18/h5-6,8,10,18H,1-4,7H2,(H,17,19)/t8-,10+/m1/s1
InChIKeyXKZDFRLWVDNWQM-SCZZXKLOSA-N
XLogP2.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide
CID 119137849
5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 64911102
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide
CID 64928484
3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64910898
2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide
CID 99855973
2-chloro-N-[(2-hydroxycyclohexyl)methyl]-5-sulfanylbenzamide
CID 107031032
2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 106993969
4-chloro-3-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide
CID 100628497
3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 79773461
3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide
CID 103736731
3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide
CID 64929672

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-3-fluoro-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]pyridine-2-carboxamide (CID 99778357) is 4-chloro-3-fluoro-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-3-fluoro-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]pyridine-2-carboxamide is O=C(NC[C@H]1CCCC[C@@H]1O)c1nccc(Cl)c1F.
What is the InChIKey of 4-chloro-3-fluoro-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]pyridine-2-carboxamide?
The InChIKey is XKZDFRLWVDNWQM-SCZZXKLOSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c14-9-5-6-16-12(11(9)15)13(19)17-7-8-3-1-2-4-10(8)18/h5-6,8,10,18H,1-4,7H2,(H,17,19)/t8-,10+/m1/s1.
What are the key properties of 4-chloro-3-fluoro-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]pyridine-2-carboxamide?
4-chloro-3-fluoro-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]pyridine-2-carboxamide has a molecular weight of 286.73 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 99778357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).