2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane

C11H10ClFN4O — CID 142362008

IUPAC2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane
SMILESCF.O=C(Nc1cccnc1)c1ccnc(Cl)n1
InChIInChI=1S/C10H7ClN4O.CH3F/c11-10-13-5-3-8(15-10)9(16)14-7-2-1-4-12-6-7;1-2/h1-6H,(H,14,16);1H3
InChIKeyRALGXPWRLHCESJ-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.36
Rot. Bonds2

About 2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane

2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane (PubChem CID 142362008) has the molecular formula C11H10ClFN4O and a molecular weight of 268.68 g/mol. Its IUPAC name is 2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane.

Molecular Properties

Compound Name2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane
PubChem CID142362008
Molecular FormulaC11H10ClFN4O
Molecular Weight268.68 g/mol
Exact Mass268.05
IUPAC Name2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane
SMILESCF.O=C(Nc1cccnc1)c1ccnc(Cl)n1
InChIInChI=1S/C10H7ClN4O.CH3F/c11-10-13-5-3-8(15-10)9(16)14-7-2-1-4-12-6-7;1-2/h1-6H,(H,14,16);1H3
InChIKeyRALGXPWRLHCESJ-UHFFFAOYSA-N
XLogP2.36
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 155927483
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CID 163252988
2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide
CID 144765692
7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide
CID 110485373
2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 141426406
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide
CID 10192785
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
4-chloro-N-pyridin-3-ylquinoline-2-carboxamide
CID 63376160
5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide
CID 62172922
5-carbamothioyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 63723754
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane?
The IUPAC name of 2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane (CID 142362008) is 2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane.
What is the SMILES notation for 2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane?
The canonical SMILES for 2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane is CF.O=C(Nc1cccnc1)c1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane?
The InChIKey is RALGXPWRLHCESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O.CH3F/c11-10-13-5-3-8(15-10)9(16)14-7-2-1-4-12-6-7;1-2/h1-6H,(H,14,16);1H3.
What are the key properties of 2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane?
2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane has a molecular weight of 268.68 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane is sourced from PubChem (CID 142362008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).