N-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide

C13H10ClFN2O — CID 110474859

IUPACN-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ncccc1F
InChIInChI=1S/C13H10ClFN2O/c1-8-9(14)4-2-6-11(8)17-13(18)12-10(15)5-3-7-16-12/h2-7H,1H3,(H,17,18)
InChIKeyNUVOVBXELNOEGU-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.43
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide

N-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide (PubChem CID 110474859) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide
PubChem CID110474859
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC NameN-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ncccc1F
InChIInChI=1S/C13H10ClFN2O/c1-8-9(14)4-2-6-11(8)17-13(18)12-10(15)5-3-7-16-12/h2-7H,1H3,(H,17,18)
InChIKeyNUVOVBXELNOEGU-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 110474866
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N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride
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3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743485
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55651530
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
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N-(3-chloro-2-methylphenyl)-2-(2-fluoroanilino)acetamide
CID 2604427
2-[(2,3-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
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CID 66484528

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide (CID 110474859) is N-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ncccc1F.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide?
The InChIKey is NUVOVBXELNOEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c1-8-9(14)4-2-6-11(8)17-13(18)12-10(15)5-3-7-16-12/h2-7H,1H3,(H,17,18).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide?
N-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide has a molecular weight of 264.69 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 110474859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).