5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine

C12H9ClF2N2 — CID 55235504

IUPAC5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(F)c(CNc2ccc(Cl)cn2)c1
InChIInChI=1S/C12H9ClF2N2/c13-9-1-4-12(17-7-9)16-6-8-5-10(14)2-3-11(8)15/h1-5,7H,6H2,(H,16,17)
InChIKeyHSVWPLWXSNCWSN-UHFFFAOYSA-N
MW254.67 g/mol
LogP3.63
Rot. Bonds3

About 5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine

5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine (PubChem CID 55235504) has the molecular formula C12H9ClF2N2 and a molecular weight of 254.67 g/mol. Its IUPAC name is 5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine
PubChem CID55235504
Molecular FormulaC12H9ClF2N2
Molecular Weight254.67 g/mol
Exact Mass254.04
IUPAC Name5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(F)c(CNc2ccc(Cl)cn2)c1
InChIInChI=1S/C12H9ClF2N2/c13-9-1-4-12(17-7-9)16-6-8-5-10(14)2-3-11(8)15/h1-5,7H,6H2,(H,16,17)
InChIKeyHSVWPLWXSNCWSN-UHFFFAOYSA-N
XLogP3.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 54966254
5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine
CID 28548307
N-[(4-chlorophenyl)methyl]-5-fluoropyridin-2-amine
CID 61313125
N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine
CID 112675874
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine
CID 114051986
N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83267602
2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562635
5-chloro-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 55068293
4-[(2,5-difluorophenyl)methylamino]-1H-pyrimidin-6-one
CID 136975723
5-chloro-N-(2-chloro-5-fluorophenyl)pyridin-2-amine
CID 107531088
N-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine
CID 107874557
5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79840079

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine (CID 55235504) is 5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine is Fc1ccc(F)c(CNc2ccc(Cl)cn2)c1.
What is the InChIKey of 5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine?
The InChIKey is HSVWPLWXSNCWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2/c13-9-1-4-12(17-7-9)16-6-8-5-10(14)2-3-11(8)15/h1-5,7H,6H2,(H,16,17).
What are the key properties of 5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine?
5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine has a molecular weight of 254.67 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 55235504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).