3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine

C10H13ClN2 — CID 103748441

IUPAC3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine
SMILESCC1(CNc2ncccc2Cl)CC1
InChIInChI=1S/C10H13ClN2/c1-10(4-5-10)7-13-9-8(11)3-2-6-12-9/h2-3,6H,4-5,7H2,1H3,(H,12,13)
InChIKeyICKSBRPCNKKLBD-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.95
Rot. Bonds3

About 3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine

3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine (PubChem CID 103748441) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine
PubChem CID103748441
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine
SMILESCC1(CNc2ncccc2Cl)CC1
InChIInChI=1S/C10H13ClN2/c1-10(4-5-10)7-13-9-8(11)3-2-6-12-9/h2-3,6H,4-5,7H2,1H3,(H,12,13)
InChIKeyICKSBRPCNKKLBD-UHFFFAOYSA-N
XLogP2.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine (CID 103748441) is 3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine is CC1(CNc2ncccc2Cl)CC1.
What is the InChIKey of 3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine?
The InChIKey is ICKSBRPCNKKLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-10(4-5-10)7-13-9-8(11)3-2-6-12-9/h2-3,6H,4-5,7H2,1H3,(H,12,13).
What are the key properties of 3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine?
3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine has a molecular weight of 196.68 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine is sourced from PubChem (CID 103748441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).