5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine

C12H9ClF2N2 — CID 54966254

IUPAC5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(CNc2ccc(Cl)cn2)cc1F
InChIInChI=1S/C12H9ClF2N2/c13-9-2-4-12(17-7-9)16-6-8-1-3-10(14)11(15)5-8/h1-5,7H,6H2,(H,16,17)
InChIKeyUPNGIZUVNCHHBC-UHFFFAOYSA-N
MW254.67 g/mol
LogP3.63
Rot. Bonds3

About 5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine

5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine (PubChem CID 54966254) has the molecular formula C12H9ClF2N2 and a molecular weight of 254.67 g/mol. Its IUPAC name is 5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
PubChem CID54966254
Molecular FormulaC12H9ClF2N2
Molecular Weight254.67 g/mol
Exact Mass254.04
IUPAC Name5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(CNc2ccc(Cl)cn2)cc1F
InChIInChI=1S/C12H9ClF2N2/c13-9-2-4-12(17-7-9)16-6-8-1-3-10(14)11(15)5-8/h1-5,7H,6H2,(H,16,17)
InChIKeyUPNGIZUVNCHHBC-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

N-[(4-bromophenyl)methyl]-5-chloropyridin-2-amine
CID 60705114
N-[(4-chlorophenyl)methyl]-5-fluoropyridin-2-amine
CID 61313125
2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine
CID 62539567
N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine
CID 62503194
5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine
CID 55235504
5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine
CID 115773984
5-chloro-N-[(4-ethoxyphenyl)methyl]pyridin-2-amine
CID 17380150
6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 78974714
4-[4-[[(5-chloro-2-pyridinyl)amino]methyl]-2-fluorophenyl]piperazin-2-one
CID 75374278
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]aniline
CID 65469695
5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 63245983
5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine
CID 54965666

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine (CID 54966254) is 5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine is Fc1ccc(CNc2ccc(Cl)cn2)cc1F.
What is the InChIKey of 5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine?
The InChIKey is UPNGIZUVNCHHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2/c13-9-2-4-12(17-7-9)16-6-8-1-3-10(14)11(15)5-8/h1-5,7H,6H2,(H,16,17).
What are the key properties of 5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine?
5-chloro-N-[(3,4-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-[(3,4-difluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 54966254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).